#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxl s ASP 2 N 0.00 4.71 0.55 7.83 1.11 -1.26 -4.95 116.67 124.66 2jxl s ASP 2 Ca 0.00 -2.09 0.29 0.00 0.18 0.00 0.00 52.55 50.93 2jxl s ASP 2 Cb 0.00 -1.59 1.59 0.00 1.07 0.00 0.00 42.92 43.99 2jxl s ASP 2 CO 0.00 -0.37 2.13 0.44 1.18 0.00 0.00 175.17 178.55 2jxl h ASP 3 N 7.64 0.00 -0.22 0.27 5.19 -2.05 -2.00 116.42 125.25 2jxl h ASP 3 Ca -0.05 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.32 2jxl h ASP 3 Cb 1.02 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 2jxl h ASP 3 CO 0.51 0.08 0.03 -0.29 -3.12 0.00 0.00 179.24 176.45 2jxl h ILE 4 N 0.00 1.18 0.19 0.35 2.10 -1.99 -0.46 117.51 118.88 2jxl h ILE 4 Ca -0.00 -0.68 -0.33 0.00 1.08 0.00 0.00 64.86 64.94 2jxl h ILE 4 Cb 0.23 0.91 0.02 0.00 -1.09 0.00 0.00 36.82 36.89 2jxl h ILE 4 CO 0.01 0.23 -1.57 1.88 -1.08 0.00 0.00 178.15 177.63 2jxl h TYR 5 N 0.47 0.75 -0.63 2.19 0.05 -1.78 -3.22 116.97 114.79 2jxl h TYR 5 Ca 0.11 -0.55 -0.01 0.00 0.05 0.00 0.00 58.73 58.33 2jxl h TYR 5 Cb 0.27 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 2jxl h TYR 5 CO 0.01 1.61 0.36 0.87 -1.05 0.00 0.00 178.16 179.95 2jxl h LYS 6 N 0.03 0.88 0.00 4.88 1.57 -1.32 -1.35 116.57 121.25 2jxl h LYS 6 Ca -0.30 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2jxl h LYS 6 Cb 2.04 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2jxl h LYS 6 CO 0.19 0.65 0.00 0.00 -0.57 0.00 0.00 179.45 179.72 2jxl h ALA 7 N 1.17 1.00 0.18 3.86 0.00 -1.22 -2.00 119.26 122.26 2jxl h ALA 7 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.89 2jxl h ALA 7 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.84 2jxl h ALA 7 CO -0.04 0.00 -1.09 0.00 0.00 0.00 0.00 179.25 178.12 2jxl h ALA 8 N 2.06 -0.09 -0.06 0.00 0.00 -1.28 -3.08 119.26 116.81 2jxl h ALA 8 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 54.91 53.98 2jxl h ALA 8 Cb 0.37 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2jxl h ALA 8 CO 0.00 0.52 -0.60 -0.39 0.00 0.00 0.00 179.25 178.79 2jxl h VAL 9 N -0.19 1.39 0.00 0.00 -1.51 -1.19 -2.97 116.25 111.78 2jxl h VAL 9 Ca -0.20 -1.98 -0.09 0.00 -1.23 0.00 0.00 66.70 63.21 2jxl h VAL 9 Cb 1.84 2.01 -0.01 0.00 -2.13 0.00 0.00 31.29 32.99 2jxl h VAL 9 CO 0.19 0.58 -0.42 -0.33 -1.23 0.00 0.00 177.57 176.36 2jxl h GLU 10 N 0.15 0.00 -0.41 5.19 4.39 -1.48 -2.44 114.58 119.99 2jxl h GLU 10 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 10 Cb 1.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2jxl h GLU 10 CO 0.09 0.42 0.00 0.00 -1.16 0.00 0.00 179.01 178.36 2jxl n GLN 11 N -3.80 1.94 -1.14 2.33 10.64 -1.13 -4.92 117.38 121.30 2jxl n GLN 11 Ca -0.01 -1.32 -0.29 0.00 -1.83 0.00 0.00 57.00 53.55 2jxl n GLN 11 Cb 0.48 -1.34 0.21 0.00 -0.86 0.00 0.00 30.24 28.74 2jxl n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jxl s LEU 12 N -1.03 1.08 0.46 2.61 1.43 -0.92 -5.01 118.68 117.30 2jxl s LEU 12 Ca 0.24 0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 53.96 2jxl s LEU 12 Cb 0.13 -2.74 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 2jxl s LEU 12 CO 0.15 -3.71 1.01 -0.89 0.23 0.00 0.00 176.35 173.15 2jxl s THR 13 N -3.02 3.96 0.23 5.49 2.01 -1.26 -4.86 115.64 118.19 2jxl s THR 13 Ca 0.69 1.24 -0.07 0.00 0.31 0.00 0.00 61.69 63.85 2jxl s THR 13 Cb -0.13 -3.51 0.22 0.00 0.01 0.00 0.00 72.50 69.09 2jxl s THR 13 CO 0.56 -0.24 1.68 -0.33 -0.69 0.00 0.00 174.62 175.60 2jxl h GLU 14 N 1.73 0.20 -0.47 4.92 3.07 -1.98 0.67 114.58 122.72 2jxl h GLU 14 Ca -0.49 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.24 2jxl h GLU 14 Cb 1.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 2jxl h GLU 14 CO 0.60 0.13 -0.14 0.93 -1.40 0.00 0.00 179.01 179.13 2jxl h GLU 15 N 0.21 0.93 -0.49 2.33 5.08 -1.98 -2.30 114.58 118.35 2jxl h GLU 15 Ca 0.38 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 2jxl h GLU 15 Cb 0.63 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 2jxl h GLU 15 CO -0.51 1.03 0.27 1.96 -1.00 0.00 0.00 179.01 180.76 2jxl h GLN 16 N 0.77 0.52 -0.59 2.33 1.08 -1.43 0.25 115.11 118.05 2jxl h GLN 16 Ca 0.12 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2jxl h GLN 16 Cb 0.70 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 2jxl h GLN 16 CO 0.05 0.35 0.15 -0.22 -0.95 0.00 0.00 178.83 178.21 2jxl h LYS 17 N 0.54 0.94 0.00 1.46 1.63 -0.88 -2.43 116.57 117.82 2jxl h LYS 17 Ca 0.21 -0.22 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 2jxl h LYS 17 Cb 0.07 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 2jxl h LYS 17 CO -0.12 0.86 -0.24 -0.91 -3.45 0.00 0.00 179.45 175.59 2jxl h ASN 18 N 0.85 0.00 0.69 4.20 2.35 -0.93 -1.70 115.58 121.04 2jxl h ASN 18 Ca 0.19 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2jxl h ASN 18 Cb 0.34 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.71 2jxl h ASN 18 CO 0.00 0.24 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.36 2jxl h GLU 19 N 0.00 -0.90 -0.16 0.81 5.08 -0.03 -2.55 114.58 116.83 2jxl h GLU 19 Ca -0.00 0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.33 2jxl h GLU 19 Cb 0.71 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2jxl h GLU 19 CO 0.03 -0.58 -0.30 0.27 -1.00 0.00 0.00 179.01 177.42 2jxl h PHE 20 N -1.21 0.34 0.00 4.33 -5.15 -1.55 -2.57 116.94 111.14 2jxl h PHE 20 Ca -0.10 -0.07 -0.00 0.00 -0.20 0.00 0.00 57.97 57.60 2jxl h PHE 20 Cb 0.73 -0.08 -0.00 0.00 0.22 0.00 0.00 35.95 36.82 2jxl h PHE 20 CO 0.00 0.58 -0.00 0.87 -2.00 0.00 0.00 178.31 177.76 2jxl h LYS 21 N 0.27 0.00 0.23 6.09 1.57 -1.31 -1.09 116.57 122.32 2jxl h LYS 21 Ca 0.04 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.48 2jxl h LYS 21 Cb 0.68 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.02 2jxl h LYS 21 CO 0.05 0.00 -1.52 0.00 -0.57 0.00 0.00 179.45 177.41 2jxl h ALA 22 N 2.00 -0.08 -0.48 3.86 0.00 -1.06 -3.32 119.26 120.17 2jxl h ALA 22 Ca -0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 54.91 53.94 2jxl h ALA 22 Cb 0.01 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2jxl h ALA 22 CO 0.00 0.76 0.12 0.00 0.00 0.00 0.00 179.25 180.13 2jxl h ALA 23 N 0.13 1.31 -0.48 0.00 0.00 -1.17 -2.29 119.26 116.76 2jxl h ALA 23 Ca -0.28 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.54 2jxl h ALA 23 Cb 2.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.69 2jxl h ALA 23 CO 0.24 0.49 0.33 0.35 0.00 0.00 0.00 179.25 180.67 2jxl h PHE 24 N 0.70 0.27 -0.35 0.00 3.57 -1.32 -1.38 116.94 118.43 2jxl h PHE 24 Ca 0.16 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2jxl h PHE 24 Cb 0.26 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2jxl h PHE 24 CO 0.01 0.13 -0.05 0.22 -2.23 0.00 0.00 178.31 176.40 2jxl h ASP 25 N 0.26 0.65 0.36 0.41 1.82 -1.53 -1.57 116.42 116.81 2jxl h ASP 25 Ca 0.22 -0.34 -0.04 0.00 -0.39 0.00 0.00 57.03 56.48 2jxl h ASP 25 Cb 0.54 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2jxl h ASP 25 CO -0.04 0.84 -0.20 0.40 -1.61 0.00 0.00 179.24 178.62 2jxl h ILE 26 N 0.46 0.86 0.08 2.25 5.03 -1.29 -1.08 117.51 123.81 2jxl h ILE 26 Ca 0.09 -0.77 -0.24 0.00 -0.12 0.00 0.00 64.86 63.83 2jxl h ILE 26 Cb 0.53 1.45 0.02 0.00 -3.03 0.00 0.00 36.82 35.80 2jxl h ILE 26 CO 0.03 0.20 -0.97 -0.26 -0.68 0.00 0.00 178.15 176.46 2jxl h PHE 27 N 0.00 0.82 -0.11 1.37 -1.00 -1.14 -3.20 116.94 113.68 2jxl h PHE 27 Ca -0.00 -0.51 0.00 0.00 2.81 0.00 0.00 57.97 60.27 2jxl h PHE 27 Cb 0.44 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.93 2jxl h PHE 27 CO 0.00 1.35 0.00 1.33 -1.61 0.00 0.00 178.31 179.38 2jxl n VAL 28 N -3.98 0.15 0.12 -0.55 0.24 -0.61 -4.01 118.33 109.69 2jxl n VAL 28 Ca -0.13 -0.20 0.19 0.00 -2.04 0.00 0.00 64.34 62.16 2jxl n VAL 28 Cb 0.86 0.07 0.77 0.00 -1.47 0.00 0.00 33.84 34.07 2jxl n VAL 28 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2jxl h LEU 29 N 1.12 0.00 0.00 1.34 3.38 -1.19 0.39 115.31 120.36 2jxl h LEU 29 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 2jxl h LEU 29 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2jxl h LEU 29 CO 0.00 0.00 -1.27 1.23 0.09 0.00 0.00 178.44 178.49 2jxl h GLY 30 N 0.00 0.01 -1.19 0.83 0.00 -1.83 -3.46 103.07 97.43 2jxl h GLY 30 Ca 0.16 -0.02 -0.50 0.00 0.00 0.00 0.00 47.33 46.97 2jxl h GLY 30 CO -0.00 0.02 0.34 0.00 0.00 0.00 0.00 176.54 176.90 2jxl s ALA 31 N -2.67 2.37 -0.07 3.60 0.00 0.13 -5.00 121.76 120.12 2jxl s ALA 31 Ca -0.01 -0.05 0.13 0.00 0.00 0.00 0.00 51.96 52.03 2jxl s ALA 31 Cb 0.09 -3.15 -0.19 0.00 0.00 0.00 0.00 23.12 19.86 2jxl s ALA 31 CO 0.82 -1.58 0.19 -0.85 0.00 0.00 0.00 175.76 174.35 2jxl n GLU 32 N -3.36 1.05 -0.06 0.00 0.28 -1.26 -4.58 120.64 112.72 2jxl n GLU 32 Ca 0.07 -0.08 -0.12 0.00 -0.16 0.00 0.00 57.16 56.87 2jxl n GLU 32 Cb 0.55 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 31.94 2jxl n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jxl n ASP 33 N -2.21 0.95 0.00 -1.84 2.03 -1.26 -5.01 116.55 109.21 2jxl n ASP 33 Ca -0.11 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2jxl n ASP 33 Cb 0.61 0.10 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 2jxl n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2jxl n GLY 34 N 1.79 0.84 3.39 0.27 0.00 -1.26 -5.16 105.19 105.05 2jxl n GLY 34 Ca -0.29 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 2jxl n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jxl s ILE 36 N -3.55 1.46 0.11 0.00 1.01 -1.04 -4.33 121.20 114.85 2jxl s ILE 36 Ca 0.34 -0.57 -0.18 0.00 0.00 0.00 0.00 60.65 60.24 2jxl s ILE 36 Cb 0.02 -1.37 -0.07 0.00 0.01 0.00 0.00 42.46 41.05 2jxl s ILE 36 CO 0.18 0.44 0.57 -0.55 0.00 0.00 0.00 174.94 175.58 2jxl s SER 37 N 1.44 6.99 0.55 3.58 0.15 -1.26 -2.50 113.70 122.64 2jxl s SER 37 Ca 0.03 1.21 0.32 0.00 0.70 0.00 0.00 55.95 58.21 2jxl s SER 37 Cb -0.13 -2.34 1.48 0.00 -1.71 0.00 0.00 66.02 63.32 2jxl s SER 37 CO -0.09 0.21 1.87 0.00 1.20 0.00 0.00 173.24 176.43 2jxl h THR 38 N 3.26 0.49 -0.02 6.45 1.03 -1.93 0.37 112.91 122.56 2jxl h THR 38 Ca -0.49 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2jxl h THR 38 Cb 1.21 0.53 -0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2jxl h THR 38 CO 0.64 0.00 -0.00 0.50 -0.01 0.00 0.00 175.52 176.65 2jxl h LYS 39 N 0.00 0.04 0.00 0.00 3.64 -1.92 -2.81 116.57 115.51 2jxl h LYS 39 Ca 0.41 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.62 2jxl h LYS 39 Cb 1.72 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.52 2jxl h LYS 39 CO -0.00 0.37 -0.73 0.93 -2.27 0.00 0.00 179.45 177.75 2jxl h GLU 40 N -0.30 0.00 0.00 1.90 4.39 -1.40 -3.12 114.58 116.05 2jxl h GLU 40 Ca 0.01 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2jxl h GLU 40 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2jxl h GLU 40 CO 0.00 0.73 -0.08 1.25 -1.16 0.00 0.00 179.01 179.75 2jxl h LEU 41 N 0.00 0.00 -0.12 1.33 5.85 -0.32 -2.17 115.31 119.88 2jxl h LEU 41 Ca -0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2jxl h LEU 41 Cb 1.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 2jxl h LEU 41 CO 0.09 0.08 -1.00 1.23 -0.34 0.00 0.00 178.44 178.50 2jxl h GLY 42 N 0.25 0.28 0.86 3.75 0.00 -1.43 -3.27 103.07 103.51 2jxl h GLY 42 Ca -0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 2jxl h GLY 42 CO 0.01 0.49 0.06 0.50 0.00 0.00 0.00 176.54 177.60 2jxl h LYS 43 N 0.12 0.31 -0.49 4.80 1.57 -1.45 -2.62 116.57 118.80 2jxl h LYS 43 Ca -0.07 -0.07 0.14 0.00 -1.87 0.00 0.00 60.65 58.78 2jxl h LYS 43 Cb 1.67 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.91 2jxl h LYS 43 CO 0.16 0.42 0.35 0.28 -0.57 0.00 0.00 179.45 180.09 2jxl h VAL 44 N 0.15 0.77 -0.66 0.50 2.07 -1.58 -0.13 116.25 117.36 2jxl h VAL 44 Ca 0.06 -0.01 0.19 0.00 0.82 0.00 0.00 66.70 67.77 2jxl h VAL 44 Cb 0.24 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2jxl h VAL 44 CO -0.00 0.00 0.50 0.24 0.02 0.00 0.00 177.57 178.34 2jxl h MET 45 N 0.03 0.00 -0.82 1.57 2.86 -1.52 0.46 114.93 117.51 2jxl h MET 45 Ca 0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2jxl h MET 45 Cb 0.90 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.52 2jxl h MET 45 CO -0.01 0.00 0.50 0.00 1.06 0.00 0.00 176.91 178.46 2jxl h ARG 46 N 0.00 1.11 -0.05 1.72 3.08 -0.64 -0.56 114.38 119.04 2jxl h ARG 46 Ca 0.31 -0.10 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 2jxl h ARG 46 Cb 1.32 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2jxl h ARG 46 CO -0.00 0.77 -0.29 0.52 -1.07 0.00 0.00 179.97 179.90 2jxl h MET 47 N 1.13 0.09 0.00 0.04 2.86 -1.07 -2.34 114.93 115.64 2jxl h MET 47 Ca 0.30 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.83 2jxl h MET 47 Cb -0.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2jxl h MET 47 CO -0.06 0.38 -0.38 -0.07 1.06 0.00 0.00 176.91 177.84 2jxl h LEU 48 N 0.08 0.00 0.00 1.22 -0.00 -1.25 -3.47 115.31 111.89 2jxl h LEU 48 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 2jxl h LEU 48 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2jxl h LEU 48 CO 0.04 0.38 0.00 0.61 -0.00 0.00 0.00 178.44 179.47 2jxl n GLY 49 N 0.60 1.38 3.10 0.83 0.00 -0.72 -5.12 105.19 105.25 2jxl n GLY 49 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 2jxl n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jxl s GLN 50 N -0.26 0.76 -0.40 1.61 -0.21 -0.30 -5.01 119.66 115.86 2jxl s GLN 50 Ca 0.00 -0.66 0.09 0.00 0.02 0.00 0.00 55.36 54.81 2jxl s GLN 50 Cb 0.00 -0.72 0.28 0.00 1.00 0.00 0.00 33.01 33.58 2jxl s GLN 50 CO 0.00 0.17 0.60 0.09 -2.12 0.00 0.00 175.29 174.04 2jxl n ASN 51 N 1.98 0.62 -4.53 5.90 4.13 -1.26 -2.40 115.26 119.71 2jxl n ASN 51 Ca -0.18 -2.84 -0.29 0.00 1.68 0.00 0.00 54.58 52.95 2jxl n ASN 51 Cb 0.55 -0.63 0.19 0.00 -1.54 0.00 0.00 39.78 38.35 2jxl n ASN 51 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2jxl s PRO 52 N -1.66 0.05 0.94 3.52 0.04 -1.26 -5.00 135.00 131.63 2jxl s PRO 52 Ca 0.37 0.39 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 2jxl s PRO 52 Cb 0.22 -1.70 0.09 0.00 0.04 0.00 0.00 34.50 33.15 2jxl s PRO 52 CO -0.10 -2.96 0.76 0.25 0.04 0.00 0.00 177.00 174.99 2jxl n THR 53 N -4.31 0.01 -0.04 1.26 -2.24 -1.26 -4.94 114.28 102.74 2jxl n THR 53 Ca 0.06 -0.10 -0.13 0.00 -2.27 0.00 0.00 64.05 61.61 2jxl n THR 53 Cb 0.58 -0.80 -0.08 0.00 -2.10 0.00 0.00 70.33 67.93 2jxl n THR 53 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2jxl h PRO 54 N -1.72 0.27 0.00 -0.78 0.13 -1.98 -3.13 132.00 124.78 2jxl h PRO 54 Ca -0.43 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 64.52 2jxl h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2jxl h PRO 54 CO 0.37 0.68 -0.18 0.93 -0.23 0.00 0.00 178.00 179.57 2jxl h GLU 55 N -0.13 0.00 -0.47 0.86 3.07 -1.97 -2.32 114.58 113.62 2jxl h GLU 55 Ca 0.02 0.00 0.06 0.00 -0.50 0.00 0.00 59.36 58.94 2jxl h GLU 55 Cb 0.63 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.51 2jxl h GLU 55 CO 0.03 0.18 0.32 1.49 -1.40 0.00 0.00 179.01 179.62 2jxl h GLU 56 N 0.00 0.39 0.55 2.33 4.81 -1.91 -1.16 114.58 119.60 2jxl h GLU 56 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2jxl h GLU 56 Cb 0.34 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2jxl h GLU 56 CO 0.02 0.26 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.22 2jxl h LEU 57 N 0.40 -0.64 -1.74 1.64 -0.00 -1.49 -2.43 115.31 111.05 2jxl h LEU 57 Ca 0.20 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 58.08 2jxl h LEU 57 Cb 0.29 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2jxl h LEU 57 CO -0.05 -0.46 -0.15 -0.61 -0.00 0.00 0.00 178.44 177.17 2jxl h GLN 58 N -0.75 0.00 0.30 1.13 4.15 -1.59 -2.75 115.11 115.60 2jxl h GLN 58 Ca -0.07 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 2jxl h GLN 58 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2jxl h GLN 58 CO 0.12 0.15 -0.15 0.93 -1.93 0.00 0.00 178.83 177.95 2jxl h GLU 59 N 0.00 -0.40 0.00 1.69 4.39 -0.75 0.14 114.58 119.64 2jxl h GLU 59 Ca -0.00 0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2jxl h GLU 59 Cb 0.42 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2jxl h GLU 59 CO 0.02 -0.27 -0.37 1.98 -1.16 0.00 0.00 179.01 179.21 2jxl h MET 60 N -0.42 0.00 0.00 2.33 4.05 -1.36 -2.53 114.93 117.00 2jxl h MET 60 Ca -0.04 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.33 2jxl h MET 60 Cb 0.33 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 2jxl h MET 60 CO 0.06 0.37 -0.22 0.82 0.23 0.00 0.00 176.91 178.17 2jxl h ILE 61 N 0.00 0.43 -0.06 1.77 2.04 -1.17 -3.00 117.51 117.52 2jxl h ILE 61 Ca -0.00 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 2jxl h ILE 61 Cb 0.72 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2jxl h ILE 61 CO 0.05 0.21 0.01 -0.78 0.00 0.00 0.00 178.15 177.64 2jxl h ASP 62 N 0.00 0.11 0.94 1.72 1.82 -0.28 0.30 116.42 121.02 2jxl h ASP 62 Ca -0.00 -0.29 -0.04 0.00 -0.39 0.00 0.00 57.03 56.31 2jxl h ASP 62 Cb 0.96 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 2jxl h ASP 62 CO 0.03 0.36 -0.19 -0.33 -1.61 0.00 0.00 179.24 177.51 2jxl h GLU 63 N -0.16 0.00 0.00 0.28 3.07 -1.60 -3.23 114.58 112.94 2jxl h GLU 63 Ca 0.02 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.85 2jxl h GLU 63 Cb 0.31 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2jxl h GLU 63 CO 0.00 0.19 -0.16 0.28 -1.40 0.00 0.00 179.01 177.92 2jxl h VAL 64 N 0.00 1.62 -2.03 3.13 2.07 -1.36 -3.44 116.25 116.24 2jxl h VAL 64 Ca -0.00 -2.27 -0.53 0.00 0.82 0.00 0.00 66.70 64.71 2jxl h VAL 64 Cb 0.70 3.12 -0.01 0.00 -1.52 0.00 0.00 31.29 33.58 2jxl h VAL 64 CO 0.02 0.55 1.46 -0.62 0.02 0.00 0.00 177.57 179.01 2jxl s ASP 65 N -6.27 5.20 0.28 0.57 -1.08 0.10 -4.74 116.67 110.72 2jxl s ASP 65 Ca -0.20 1.23 0.05 0.00 -0.52 0.00 0.00 52.55 53.11 2jxl s ASP 65 Cb -0.02 -2.51 0.39 0.00 -1.46 0.00 0.00 42.92 39.32 2jxl s ASP 65 CO 0.65 -2.27 1.66 1.05 0.52 0.00 0.00 175.17 176.78 2jxl h GLU 66 N 15.98 0.27 -0.00 4.34 4.11 -1.84 -2.89 114.58 134.55 2jxl h GLU 66 Ca -0.31 -0.14 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2jxl h GLU 66 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2jxl h GLU 66 CO 1.08 0.67 -0.66 -0.40 0.07 0.00 0.00 179.01 179.77 2jxl n ASP 67 N -4.00 1.13 -3.74 3.06 5.68 -1.26 -4.98 116.55 112.44 2jxl n ASP 67 Ca -0.02 -0.94 -0.25 0.00 -0.50 0.00 0.00 54.79 53.08 2jxl n ASP 67 Cb 0.51 0.59 0.05 0.00 -1.14 0.00 0.00 41.12 41.12 2jxl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2jxl n GLY 68 N 1.46 -0.44 0.25 6.12 0.00 -1.09 -4.86 105.19 106.63 2jxl n GLY 68 Ca 0.07 0.18 0.16 0.00 0.00 0.00 0.00 46.02 46.43 2jxl n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jxl h SER 69 N -2.15 0.00 0.00 1.61 4.64 -1.93 -3.46 113.55 112.25 2jxl h SER 69 Ca -0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 2jxl h SER 69 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 2jxl h SER 69 CO 0.60 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 2jxl n GLY 70 N 0.18 0.49 3.15 -0.77 0.00 -1.26 -5.07 105.19 101.92 2jxl n GLY 70 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 2jxl n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jxl s THR 71 N -2.00 0.12 -0.20 2.61 -4.23 -1.26 -4.45 115.64 106.23 2jxl s THR 71 Ca 0.00 -1.01 -0.09 0.00 -1.18 0.00 0.00 61.69 59.42 2jxl s THR 71 Cb 0.00 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.86 2jxl s THR 71 CO 0.00 -0.56 0.10 -0.69 -0.54 0.00 0.00 174.62 172.93 2jxl s VAL 72 N -2.68 4.97 0.00 2.29 1.01 -1.04 -4.92 120.40 120.03 2jxl s VAL 72 Ca -0.04 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jxl s VAL 72 Cb -0.01 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.10 2jxl s VAL 72 CO -0.05 0.42 0.00 0.47 0.00 0.00 0.00 175.10 175.94 2jxl n ASP 73 N 3.83 0.00 0.14 3.32 8.00 -1.26 -2.49 116.55 128.09 2jxl n ASP 73 Ca -0.16 -0.98 -0.13 0.00 0.71 0.00 0.00 54.79 54.23 2jxl n ASP 73 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 2jxl n ASP 73 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2jxl h PHE 74 N -0.06 -0.57 0.76 1.24 3.04 -1.98 0.30 116.94 119.66 2jxl h PHE 74 Ca 0.00 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.92 2jxl h PHE 74 Cb 0.00 0.23 0.01 0.00 2.56 0.00 0.00 35.95 38.74 2jxl h PHE 74 CO 0.00 -0.32 -0.36 -0.44 -2.02 0.00 0.00 178.31 175.17 2jxl h ASP 75 N -0.45 -0.86 -0.82 0.41 3.32 -1.99 -0.51 116.42 115.52 2jxl h ASP 75 Ca 0.01 0.02 0.18 0.00 0.02 0.00 0.00 57.03 57.25 2jxl h ASP 75 Cb 0.43 0.22 -0.06 0.00 0.22 0.00 0.00 39.33 40.15 2jxl h ASP 75 CO -0.07 -0.59 0.55 -0.33 -1.72 0.00 0.00 179.24 177.08 2jxl h GLU 76 N -1.06 0.37 0.00 3.56 5.08 -1.92 0.28 114.58 120.88 2jxl h GLU 76 Ca -0.10 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.11 2jxl h GLU 76 Cb 0.79 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2jxl h GLU 76 CO 0.17 0.24 -0.58 2.35 -1.00 0.00 0.00 179.01 180.19 2jxl h TRP 77 N 0.38 0.00 -0.39 4.33 7.01 -0.06 -3.20 115.95 124.01 2jxl h TRP 77 Ca 0.41 0.00 -0.07 0.00 2.11 0.00 0.00 58.89 61.34 2jxl h TRP 77 Cb 1.04 0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 28.08 2jxl h TRP 77 CO -0.00 0.58 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.14 2jxl h LEU 78 N 0.00 0.70 -2.38 0.65 3.38 0.12 -2.62 115.31 115.15 2jxl h LEU 78 Ca -0.01 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.67 2jxl h LEU 78 Cb 1.15 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 2jxl h LEU 78 CO 0.08 0.86 0.10 -0.37 0.09 0.00 0.00 178.44 179.19 2jxl h VAL 79 N 0.53 0.44 0.66 1.22 -1.51 -1.46 -1.87 116.25 114.26 2jxl h VAL 79 Ca 0.11 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.55 2jxl h VAL 79 Cb 0.51 0.91 0.01 0.00 -2.13 0.00 0.00 31.29 30.59 2jxl h VAL 79 CO 0.02 0.00 -0.32 -0.03 -1.23 0.00 0.00 177.57 176.02 2jxl h MET 80 N 0.00 -0.85 -0.30 5.19 -1.53 -1.53 -2.59 114.93 113.32 2jxl h MET 80 Ca 0.04 0.06 -0.10 0.00 -3.44 0.00 0.00 59.70 56.26 2jxl h MET 80 Cb 0.25 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.48 2jxl h MET 80 CO -0.00 -0.55 -0.24 0.00 0.14 0.00 0.00 176.91 176.26 2jxl h MET 81 N -0.95 0.57 -0.43 0.39 -0.00 -1.54 -3.12 114.93 109.85 2jxl h MET 81 Ca -0.09 -0.22 0.09 0.00 -0.00 0.00 0.00 59.70 59.48 2jxl h MET 81 Cb 0.70 -0.03 -0.09 0.00 -0.00 0.00 0.00 31.60 32.18 2jxl h MET 81 CO 0.15 0.76 -0.13 0.00 -0.00 0.00 0.00 176.91 177.69 2jxl h ALA 82 N 1.24 0.24 0.00 -3.00 0.00 -1.25 0.24 119.26 116.74 2jxl h ALA 82 Ca 0.07 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2jxl h ALA 82 Cb 0.68 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jxl h ALA 82 CO 0.05 -0.48 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 2jxl h ARG 83 N -0.03 0.00 0.00 0.00 3.08 -1.40 -0.82 114.38 115.21 2jxl h ARG 83 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2jxl h ARG 83 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 2jxl h ARG 83 CO -0.46 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 178.50 2jxl h MET 85 N 0.00 0.00 0.00 0.00 2.86 -0.98 -2.93 114.93 113.88 2jxl h MET 85 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2jxl h MET 85 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 2jxl h MET 85 CO 0.00 0.30 0.00 1.17 1.06 0.00 0.00 176.91 179.44 2jxl n LYS 86 N -3.29 0.19 0.23 1.72 3.00 -0.89 -2.58 118.16 116.55 2jxl n LYS 86 Ca 0.01 0.13 0.15 0.00 -0.00 0.00 0.00 58.31 58.60 2jxl n LYS 86 Cb 0.56 -1.50 0.53 0.00 0.00 0.00 0.00 35.03 34.62 2jxl n LYS 86 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2jxl h ASP 87 N 0.00 0.00 -4.31 3.14 2.03 -1.67 -3.46 116.42 112.15 2jxl h ASP 87 Ca 0.00 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.90 2jxl h ASP 87 Cb 0.23 0.00 0.06 0.00 -0.83 0.00 0.00 39.33 38.79 2jxl h ASP 87 CO 0.00 0.00 -0.59 -0.67 -1.03 0.00 0.00 179.24 176.95 2jxl n ASP 88 N -2.92 -6.05 0.00 4.15 2.03 -1.07 -5.19 116.55 107.50 2jxl n ASP 88 Ca 0.02 -0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.06 2jxl n ASP 88 Cb 0.35 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 35.88 2jxl n ASP 88 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08